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ethyl 2-{[[(2E)-2-(2-chlorobenzylidene)hydrazino](oxo)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

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ethyl 2-{[[(2E)-2-(2-chlorobenzylidene)hydrazino](oxo)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
SpectraBase Compound ID ml6KnRqNQn
InChI InChI=1S/C21H22ClN3O4S/c1-2-29-21(28)17-14-9-4-3-5-11-16(14)30-20(17)24-18(26)19(27)25-23-12-13-8-6-7-10-15(13)22/h6-8,10,12H,2-5,9,11H2,1H3,(H,24,26)(H,25,27)/b23-12+
InChIKey SULQIMUTUQYHKX-FSJBWODESA-N
Mol Weight 447.94 g/mol
Molecular Formula C21H22ClN3O4S
Exact Mass 447.101955 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3SQ8dz3UdUn
Name ethyl 2-{[[(2E)-2-(2-chlorobenzylidene)hydrazino](oxo)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C21H22ClN3O4S/c1-2-29-21(28)17-14-9-4-3-5-11-16(14)30-20(17)24-18(26)19(27)25-23-12-13-8-6-7-10-15(13)22/h6-8,10,12H,2-5,9,11H2,1H3,(H,24,26)(H,25,27)/b23-12+
InChIKey SULQIMUTUQYHKX-FSJBWODESA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_21042
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: D51990; Labnumber: NIG-P3460; SBI_ID: SBI-021046
Synonyms ethyl 2-{[[2-(2-chlorobenzylidene)hydrazino](oxo)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Temperature 318 °C